LigandBoxID:D03076

NAME:Benapryzine hydrochloride
SMILES: CCCN(CCOC(C(c1ccccc1)(c2ccccc2)O)=O)CC

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D03076

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H28NO3 342.459 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 1 -4.2091 -11.8315
LOGS LOGP    
-4.6846 4.7740    

Links to the same SMILES compounds

PUBCHEM 18550 18551


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